(E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C21H18N4O MolecularWeight: 342.39382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18N4O/c1-14-8-9-19(15(2)10-14)20-17(11-16(12-22)21(23)26)13-25(24-20)18-6-4-3-5-7-18/h3-11,13H,1-2H3,(H2,23,26)/b16-11+